4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide

C24H17ClFN3O3 — CID 53005565

IUPAC4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C24H17ClFN3O3/c25-18-5-1-16(2-6-18)15-32-22-13-14-23(30)29(28-22)21-11-3-17(4-12-21)24(31)27-20-9-7-19(26)8-10-20/h1-14H,15H2,(H,27,31)
InChIKeyZJEMDEMKKUVMSZ-UHFFFAOYSA-N
MW449.87 g/mol
LogP4.86
Rot. Bonds6

About 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide

4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide (PubChem CID 53005565) has the molecular formula C24H17ClFN3O3 and a molecular weight of 449.87 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide
PubChem CID53005565
Molecular FormulaC24H17ClFN3O3
Molecular Weight449.87 g/mol
Exact Mass449.09
IUPAC Name4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1
InChIInChI=1S/C24H17ClFN3O3/c25-18-5-1-16(2-6-18)15-32-22-13-14-23(30)29(28-22)21-11-3-17(4-12-21)24(31)27-20-9-7-19(26)8-10-20/h1-14H,15H2,(H,27,31)
InChIKeyZJEMDEMKKUVMSZ-UHFFFAOYSA-N
XLogP4.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.87
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide (CID 53005565) is 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide is O=C(Nc1ccc(F)cc1)c1ccc(-n2nc(OCc3ccc(Cl)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide?
The InChIKey is ZJEMDEMKKUVMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFN3O3/c25-18-5-1-16(2-6-18)15-32-22-13-14-23(30)29(28-22)21-11-3-17(4-12-21)24(31)27-20-9-7-19(26)8-10-20/h1-14H,15H2,(H,27,31).
What are the key properties of 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide?
4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide has a molecular weight of 449.87 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 53005565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).